5-Amino-3-chloro-4-isothiazolecarbonitrile

Base Information

• Chemical Name: 5-Amino-3-chloro-4-isothiazolecarbonitrile
• CAS No.: 3889-68-7
• Molecular Formula: C4H2ClN3S
• Molecular Weight: 159.6
• Hs Code.: 2934999090
• Mol file: 3889-68-7.mol

Synonyms:5-amino-3-chloro-isothiazole-4-carbonitrile;5-Amino-3-chlor-4-cyanisothiazol;3-Chlor-5-amino-4-thiazolcarbonitril;3-chloro-4-cyano-5-amino isothiazole;

Chemical Property of 5-Amino-3-chloro-4-isothiazolecarbonitrile

Chemical Property:

• Melting Point: 210-212℃
• Boiling Point: 229.4±40.0 °C(Predicted)
• PKA: 0.09±0.50(Predicted)
• PSA: 90.94000
• Density: 1.63±0.1 g/cm3(Predicted)
• LogP: 1.83158

Purity/Quality:

99% ^*data from raw suppliers

5-AMINO-3-CHLORO-4-ISOTHIAZOLECARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Amino-3-chloro-4-isothiazolecarbonitrile

There total 1 articles about 5-Amino-3-chloro-4-isothiazolecarbonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3,5-dichloro-4-cyano isothiazole (2120-82-3) → 5-amino-3-chloroisothiazole-4-carbonitrile (3889-68-7)

Guidance literature:

With ammonia; In tetrahydrofuran;

DOI:10.1021/jo01026a033

Reference yield: 96.0%

5-amino-3-chloroisothiazole-4-carbonitrile (3889-68-7) → 3-chloroisothiazole-4-carbonitrile (915395-41-4)

Guidance literature:

With isopentyl nitrite; In nitromethane; at 20 ℃; for 0.166667h; regioselective reaction;

DOI:10.1016/j.tet.2011.03.065

Reference yield: 84.0%

5-amino-3-chloroisothiazole-4-carbonitrile (3889-68-7) → 3,5-diamino-1H-pyrazolo-4-carbonitrile (6844-58-2)

Guidance literature:

With hydrazine; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.tet.2009.06.041

upstream raw materials:

3,5-dichloro-4-cyano isothiazole

Downstream raw materials:

3-chloroisothiazole-4-carbonitrile

3-chloro-5-iodoisothiazole-4-carbonitrile

3,5-diamino-1H-pyrazolo-4-carbonitrile